methyl (7S,8R)-6-(1,3-dithiolan-2-yl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylate

Systemtic Name: methyl (7S,8R)-6-(1,3-dithiolan-2-yl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylate Openeye Name: methyl (7S,8R)-6-(1,3-dithiolan-2-yl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylate CAS Name: (7S,8R)-6-(1,3-dithiolan-2-yl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid methyl ester IUPAC Name: methyl (7S,8R)-6-(1,3-dithiolan-2-yl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylate Traditional Name: (7S,8R)-6-(1,3-dithiolan-2-yl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid methyl ester Formula: C25H26O7S2 MolecularWeight: 502.59974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(=CC3=CC4=C(C=C23)OCO4)C5SCCS5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C(=CC3=CC4=C(C=C23)OCO4)C5SCCS5)C(=O)OC

InChI

InChI=1S/C25H26O7S2/c1-27-19-9-14(10-20(28-2)23(19)29-3)21-15-11-18-17(31-12-32-18)8-13(15)7-16(22(21)24(26)30-4)25-33-5-6-34-25/h7-11,21-22,25H,5-6,12H2,1-4H3/t21-,22-/m1/s1